2-(2,4-dimethylphenyl)-5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 2-(2,4-dimethylphenyl)-5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2,3-triazole-4-carboxamide Openeye Name: 2-(2,4-dimethylphenyl)-5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)triazole-4-carboxamide CAS Name: 2-(2,4-dimethylphenyl)-5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-triazolecarboxamide IUPAC Name: 2-(2,4-dimethylphenyl)-5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)triazole-4-carboxamide Traditional Name: 2-(2,4-dimethylphenyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)-5-methyl-triazole-4-carboxamide Formula: C20H19N5O3S2 MolecularWeight: 441.52656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)C)C

InChI

InChI=1S/C20H19N5O3S2/c1-11-5-8-16(12(2)9-11)25-23-13(3)18(24-25)19(26)22-20-21-15-7-6-14(30(4,27)28)10-17(15)29-20/h5-10H,1-4H3,(H,21,22,26)